2-Methyl-3-(8-methyl-5,7-dioxatetracyclo[6.4.0.02,6.02,11]dodecan-4-yl)prop-2-enoic acid
| Internal ID | 415b54a9-42c3-4bf8-b97e-e4d7c4a53268 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Bicyclic monoterpenoids |
| IUPAC Name | 2-methyl-3-(8-methyl-5,7-dioxatetracyclo[6.4.0.02,6.02,11]dodecan-4-yl)prop-2-enoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C15H20O4/c1-8(12(16)17)5-10-7-15-9-3-4-14(2,11(15)6-9)19-13(15)18-10/h5,9-11,13H,3-4,6-7H2,1-2H3,(H,16,17) |
| InChI Key | SIDAVWFGTAYCMJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H20O4 |
| Molecular Weight | 264.32 g/mol |
| Exact Mass | 264.13615911 g/mol |
| Topological Polar Surface Area (TPSA) | 55.80 Ų |
| XlogP | 1.70 |
| There are no found synonyms. |
![2D Structure of 2-Methyl-3-(8-methyl-5,7-dioxatetracyclo[6.4.0.02,6.02,11]dodecan-4-yl)prop-2-enoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/2-methyl-3-8-methyl-57-dioxatetracyclo6400260211dodecan-4-ylprop-2-enoic-acid.jpg "2D Structure of 2-Methyl-3-(8-methyl-5,7-dioxatetracyclo[6.4.0.02,6.02,11]dodecan-4-yl)prop-2-enoic acid")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.15% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.11% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.03% | 96.09% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 91.71% | 96.61% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 91.07% | 95.69% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.82% | 90.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.38% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.58% | 97.09% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 85.16% | 96.38% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 85.09% | 93.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.67% | 91.19% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 83.92% | 85.30% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 83.19% | 93.04% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.61% | 100.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 81.23% | 92.50% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.74% | 100.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.39% | 95.50% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.10% | 99.23% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 80.06% | 98.75% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 162815119 |
| LOTUS | LTS0112503 |
| wikiData | Q104197323 |